SCHEMBL9960022

SCHEMBL9960022

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)s3)c3cc(F)c(OC)cc23)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
SCN10A Q9Y5Y9 1/20 0.34
P2RX3 P56373 2/20 0.34
AXL P30530 2/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
DDR1 Q08345 1/20 0.33
MET P08581 5/20 0.32
GRM4 Q14833 1/20 0.32
JAK2 O60674 1/20 0.31
RPS6KA5 O75582 1/20 0.31
ABL1 P00519 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
KIT P10721 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9960948 0.94 FAAH (0.60) FAAHSCN10AP2RX3MAPK3PLA2G2A
SCHEMBL9960092 0.92 FAAH (0.60) FAAHSCN10AGRM4MAPK3KDR
SCHEMBL10242573 0.92 FAAH (0.60) FAAHSCN10AGRM4MAPK3PLA2G2A
SCHEMBL9960013 0.91 FAAH (0.60) FAAHSCN10AGRM4MAPK3PLA2G2A
SCHEMBL10242361 0.89 FAAH (0.62) FAAHSCN10AMAPK3PLA2G2ASORT1
SCHEMBL9956255 0.88 FAAH (0.75) FAAHSCN10AMAPK3PLA2G2A
SCHEMBL9959182 0.88 FAAH (0.71) FAAHSCN10APLA2G2A
SCHEMBL9959139 0.87 FAAH (0.65) FAAHPLA2G2A
SCHEMBL9960034 0.87 FAAH (0.62) FAAHSCN10APLA2G2A
SCHEMBL9959333 0.87 FAAH (0.77) FAAHP2RX3AXLAURKAAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed